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67227-33-2 | N-(3-ACETAMIDO-5-CARBAMOYL-2,4,6-TRIIODOBENZOYL)GLYCIN
CAS No: 67227-33-2 Catalog No: AG005Q3C MDL No:
Product Description
Catalog Number:
AG005Q3C
Chemical Name:
N-(3-ACETAMIDO-5-CARBAMOYL-2,4,6-TRIIODOBENZOYL)GLYCIN
CAS Number:
67227-33-2
Molecular Formula:
C12H10I3N3O5
Molecular Weight:
656.9383
IUPAC Name:
2-[(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)amino]acetic acid
InChI:
InChI=1S/C12H10I3N3O5/c1-3(19)18-10-8(14)5(11(16)22)7(13)6(9(10)15)12(23)17-2-4(20)21/h2H2,1H3,(H2,16,22)(H,17,23)(H,18,19)(H,20,21)
InChI Key:
JEEBABYLDYQJPC-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1c(I)c(NC(=O)C)c(c(c1I)C(=O)N)I
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
656.775g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
656.941g/mol
Monoisotopic Mass:
656.775g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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